Computer-aided design of optimal environmentally benign solvent-based adhesive products
File(s)Jonuzaj-et-al-2019.pdf (515.68 KB)
Accepted version
Author(s)
Jonuzaj, Suela
Cui, Jingyue
Adjiman, Claire S
Type
Journal Article
Abstract
The manufacture of improved adhesive products that meet specified target properties has attracted increasing interest over the last decades. In this work, a general systematic methodology for the design of optimal adhesive products with low environmental impact is presented. The proposed approach integrates computer-aided design tools and Generalised Disjunctive Programming (GDP), a logic-based framework, to formulate and solve the product design problem. Key design decisions in product design (i.e., how many components should be included in the final product, which active ingredients and solvent compounds should be used and in what proportions) are optimised simultaneously. This methodology is applied to the design of solvent-based acrylic adhesives, which are commonly used in construction. First, optimal product formulations are determined with the aim to minimize toxicity. This reveals that number of components in the product formulation does not correlate with performance and that high performance can be achieved by investigating different number of components as well as by optimising all ingredients simultaneously rather than sequentially. The relation between two competing objectives (product toxicity and concentration of the active ingredient) is then explored by obtaining a set of Pareto optimal solutions. This leads to significant trade-offs and large areas of discontinuity driven by discrete changes in the list of optimal ingredients in the product.
Date Issued
2019-11-01
Date Acceptance
2019-07-17
Citation
Computers and Chemical Engineering, 2019, 130
ISSN
0098-1354
Publisher
Elsevier
Journal / Book Title
Computers and Chemical Engineering
Volume
130
Copyright Statement
© 2019 Elsevier Ltd. All rights reserved. This manuscript is licensed under the Creative Commons Attribution-NonCommercial-NoDerivatives 4.0 International Licence http://creativecommons.org/licenses/by-nc-nd/4.0/
Sponsor
Engineering & Physical Science Research Council (EPSRC)
Engineering & Physical Science Research Council (EPSRC)
Grant Number
EP/J003840/1
Doctoral Prize - Jonuzaj
Subjects
Science & Technology
Technology
Computer Science, Interdisciplinary Applications
Engineering, Chemical
Computer Science
Engineering
Solvent-based adhesives
Chemical product design
Computer-aided methods
Generalized disjunctive programming
Minimise toxicity
WORKING-FLUID MIXTURES
ORGANIC RANKINE CYCLES
BIO-OIL ADDITIVES
MOLECULAR DESIGN
CHEMICAL-PRODUCT
COMPREHENSIVE FRAMEWORK
SYSTEMATIC METHODOLOGY
OPTIMIZATION
SELECTION
TOOLS
0904 Chemical Engineering
0913 Mechanical Engineering
Chemical Engineering
Publication Status
Published
Article Number
ARTN 106518
Date Publish Online
2019-07-31